Dissipative non-equilibrium Green function methodology to treat short range Coulomb interaction: current through a 1D...

Area of Science:

• Condensed Matter Physics
• Quantum Mechanics
• Materials Science

Background:

• Coulomb blockade is a key phenomenon in quantum dots, affecting electron transport.
• Existing models often lack spatial resolution and detailed electron-electron interaction descriptions.
• Understanding electron localization and transport is crucial for nanoscale devices.

Purpose of the Study:

• To develop a novel methodology for simulating Coulomb blockade using non-equilibrium Green function formalism.
• To incorporate spatial resolution and short-range Coulomb interactions in quantum dot simulations.
• To explain the mechanism behind increased mobility in semi-crystalline polymers and validate with experiments.

Main Methods:

• Developed a methodology based on the non-equilibrium Green function formalism.
• Incorporated a two-particle Green function to describe short-range Coulomb interaction.
• Performed ballistic and dissipative simulations of a 1D quantum dot using an Einstein phonon model.
• Considered inelastic phonons with varying energies and spatial resolution for the quantum dot.

Main Results:

• The formalism conserves current through the nanostructure.
• A 1D model successfully explained increased polymer mobility linked to electron concentration and electron-electron repulsion.
• Simulations demonstrated the stability diagram in the Coulomb blockade regime for a low-temperature resonant structure.

Conclusions:

• The presented methodology offers a spatially resolved description of Coulomb blockade, improving upon previous models.
• The findings provide a theoretical basis for enhanced electron mobility in semi-crystalline polymers.
• The study validates the approach through alignment with experimental results and a proof-of-concept simulation.